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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23N3O2
Molecular Weight 349.427
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AB-BICA

SMILES

CC(C)[C@@]([H])(C(=N)O)N=C(c1cn(Cc2ccccc2)c3ccccc13)O

InChI

InChIKey=KWZMKPNXFPNTEJ-IBGZPJMESA-N
InChI=1S/C21H23N3O2/c1-14(2)19(20(22)25)23-21(26)17-13-24(12-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,13-14,19H,12H2,1-2H3,(H2,22,25)(H,23,26)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H23N3O2
Molecular Weight 349.427
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 20:47:42 UTC 2021
Edited
by admin
on Fri Jun 25 20:47:42 UTC 2021
Record UNII
JS8UEW5PEV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AB-BICA
Common Name English
1-BENZYL-N-(1-CARBAMOYL-2-METHYL-PROPYL)INDOLE-3-CARBOXAMIDE
Systematic Name English
N-(1-AMINO-3-METHYL-1-OXOBUTAN-2-YL)-1-BENZYL-1H-INDOLE-3-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
129349949
Created by admin on Fri Jun 25 20:47:42 UTC 2021 , Edited by admin on Fri Jun 25 20:47:42 UTC 2021
PRIMARY
MANUFACTURER PRODUCT INFORMATION
AB-BICA
Created by admin on Fri Jun 25 20:47:42 UTC 2021 , Edited by admin on Fri Jun 25 20:47:42 UTC 2021
PRIMARY We identified four cannabimimetic indazole and indole derivatives in new illegal psychoactive substances seized from a clandestine laboratory in China. These four derivatives included N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-benzyl-1H-indole-3-carboxamide (AB-BICA, 4).
FDA UNII
JS8UEW5PEV
Created by admin on Fri Jun 25 20:47:42 UTC 2021 , Edited by admin on Fri Jun 25 20:47:42 UTC 2021
PRIMARY
CAS
1969264-37-6
Created by admin on Fri Jun 25 20:47:42 UTC 2021 , Edited by admin on Fri Jun 25 20:47:42 UTC 2021
PRIMARY
CAYMAN
18759
Created by admin on Fri Jun 25 20:47:42 UTC 2021 , Edited by admin on Fri Jun 25 20:47:42 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> AGONIST
ASSUMED ACTIVITY FROM ANALOGS
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY